2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide

C15H25N3O3 — CID 175765359

IUPAC2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide
SMILESCOc1nc(C2CCOCC2)c(CCC(C)C)n1C(N)=O
InChIInChI=1S/C15H25N3O3/c1-10(2)4-5-12-13(11-6-8-21-9-7-11)17-15(20-3)18(12)14(16)19/h10-11H,4-9H2,1-3H3,(H2,16,19)
InChIKeyITTUNAHTJROKRG-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.30
Rot. Bonds5

About 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide

2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide (PubChem CID 175765359) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide
PubChem CID175765359
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide
SMILESCOc1nc(C2CCOCC2)c(CCC(C)C)n1C(N)=O
InChIInChI=1S/C15H25N3O3/c1-10(2)4-5-12-13(11-6-8-21-9-7-11)17-15(20-3)18(12)14(16)19/h10-11H,4-9H2,1-3H3,(H2,16,19)
InChIKeyITTUNAHTJROKRG-UHFFFAOYSA-N
XLogP2.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide?
The IUPAC name of 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide (CID 175765359) is 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide.
What is the SMILES notation for 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide?
The canonical SMILES for 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide is COc1nc(C2CCOCC2)c(CCC(C)C)n1C(N)=O.
What is the InChIKey of 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide?
The InChIKey is ITTUNAHTJROKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)4-5-12-13(11-6-8-21-9-7-11)17-15(20-3)18(12)14(16)19/h10-11H,4-9H2,1-3H3,(H2,16,19).
What are the key properties of 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide?
2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methylbutyl)-4-(oxan-4-yl)imidazole-1-carboxamide is sourced from PubChem (CID 175765359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).